2-(5-chloro-2-fluorophenyl)-4-[5-(6-piperazin-1-yl-3-pyridinyl)-3-pyridinyl]-1,8-naphthyridine

C28H22ClFN6 — CID 53345180

IUPAC2-(5-chloro-2-fluorophenyl)-4-[5-(6-piperazin-1-yl-3-pyridinyl)-3-pyridinyl]-1,8-naphthyridine
SMILESFc1ccc(Cl)cc1-c1cc(-c2cncc(-c3ccc(N4CCNCC4)nc3)c2)c2cccnc2n1
InChIInChI=1S/C28H22ClFN6/c29-21-4-5-25(30)24(13-21)26-14-23(22-2-1-7-33-28(22)35-26)20-12-19(15-32-16-20)18-3-6-27(34-17-18)36-10-8-31-9-11-36/h1-7,12-17,31H,8-11H2
InChIKeyFXUHIKXCAYHJLP-UHFFFAOYSA-N
MW496.98 g/mol
LogP5.62
Rot. Bonds4

About 2-(5-chloro-2-fluorophenyl)-4-[5-(6-piperazin-1-yl-3-pyridinyl)-3-pyridinyl]-1,8-naphthyridine

2-(5-chloro-2-fluorophenyl)-4-[5-(6-piperazin-1-yl-3-pyridinyl)-3-pyridinyl]-1,8-naphthyridine (PubChem CID 53345180) has the molecular formula C28H22ClFN6 and a molecular weight of 496.98 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4-[5-(6-piperazin-1-yl-3-pyridinyl)-3-pyridinyl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4-[5-(6-piperazin-1-yl-3-pyridinyl)-3-pyridinyl]-1,8-naphthyridine
PubChem CID53345180
Molecular FormulaC28H22ClFN6
Molecular Weight496.98 g/mol
Exact Mass496.16
IUPAC Name2-(5-chloro-2-fluorophenyl)-4-[5-(6-piperazin-1-yl-3-pyridinyl)-3-pyridinyl]-1,8-naphthyridine
SMILESFc1ccc(Cl)cc1-c1cc(-c2cncc(-c3ccc(N4CCNCC4)nc3)c2)c2cccnc2n1
InChIInChI=1S/C28H22ClFN6/c29-21-4-5-25(30)24(13-21)26-14-23(22-2-1-7-33-28(22)35-26)20-12-19(15-32-16-20)18-3-6-27(34-17-18)36-10-8-31-9-11-36/h1-7,12-17,31H,8-11H2
InChIKeyFXUHIKXCAYHJLP-UHFFFAOYSA-N
XLogP5.62
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.98
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[5-(6-piperazin-1-yl-3-pyridinyl)-3-pyridinyl]-1,8-naphthyridine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[5-(6-piperazin-1-yl-3-pyridinyl)-3-pyridinyl]-1,8-naphthyridine (CID 53345180) is 2-(5-chloro-2-fluorophenyl)-4-[5-(6-piperazin-1-yl-3-pyridinyl)-3-pyridinyl]-1,8-naphthyridine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4-[5-(6-piperazin-1-yl-3-pyridinyl)-3-pyridinyl]-1,8-naphthyridine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4-[5-(6-piperazin-1-yl-3-pyridinyl)-3-pyridinyl]-1,8-naphthyridine is Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3ccc(N4CCNCC4)nc3)c2)c2cccnc2n1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4-[5-(6-piperazin-1-yl-3-pyridinyl)-3-pyridinyl]-1,8-naphthyridine?
The InChIKey is FXUHIKXCAYHJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClFN6/c29-21-4-5-25(30)24(13-21)26-14-23(22-2-1-7-33-28(22)35-26)20-12-19(15-32-16-20)18-3-6-27(34-17-18)36-10-8-31-9-11-36/h1-7,12-17,31H,8-11H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4-[5-(6-piperazin-1-yl-3-pyridinyl)-3-pyridinyl]-1,8-naphthyridine?
2-(5-chloro-2-fluorophenyl)-4-[5-(6-piperazin-1-yl-3-pyridinyl)-3-pyridinyl]-1,8-naphthyridine has a molecular weight of 496.98 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-4-[5-(6-piperazin-1-yl-3-pyridinyl)-3-pyridinyl]-1,8-naphthyridine is sourced from PubChem (CID 53345180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).